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Orbital Radii of Atoms and Ions
Abstract
Radii corresponding to the principal maxima in the radial distribution functions r2ψi2(r) have been obtained for the ground states of all the atoms in the periodic table. The relativistic wavefunctions employed were solutions of the Dirac equations. Slater's ρ⅓ method for including exchange and Latter's method for the self-interaction correction were used in ``creating'' the potential. The radii corresponding to these maxima are used as measures of the size of each orbital. The relation between the orbital radii of the valence electrons is shown as plots for the first, second, and third series of transition elements. In the elements below nobelium, only four maxima occur in the total charge-density function. The relation of these maxima to the shell structure of the atom and the effect of shielding by outer electrons are discussed. The effect of the relativistic contraction on orbitals of low angular momentum is shown.
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Cited by
Atomic Screening Constants from SCF Functions. II. Atoms with 37 to 86 Electrons
Clementi, E., Raimondi, D. L., & Reinhardt, W. P. (1967) · The Journal of Chemical Physics · doi:10.1063/1.1712084 · Cited by 1,544
Machine learning guided design of single-molecule magnets for magnetocaloric applications
Holleis, L., Shivaram, B. S., & Balachandran, P. V. (2019) · Applied Physics Letters · doi:10.1063/1.5094553 · Cited by 29
Metadata
- Authors
- Waber, J. T., & Cromer, D. T.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1965-06-15
- Volume
- 42
- Issue
- 12
- Pages
- 4116-4123
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2027710631
- Cited by
- 411
- References
- 0
- FWCI
- 5.55
- Type
- journal article
- Language
- en
- Open access
- closed
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- Waber, J. T., & Cromer, D. T. (1965). Orbital Radii of Atoms and Ions. The Journal of Chemical Physics. https://doi.org/10.1063/1.1695904
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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